[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine

C14H25N5S — CID 43530537

IUPAC[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine
SMILESNCC1CCCCCC1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H25N5S/c15-10-11-6-2-1-3-9-13(11)20-14-16-17-18-19(14)12-7-4-5-8-12/h11-13H,1-10,15H2
InChIKeyJKVNRTGSWPHZND-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.79
Rot. Bonds4

About [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine

[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine (PubChem CID 43530537) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine
PubChem CID43530537
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine
SMILESNCC1CCCCCC1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H25N5S/c15-10-11-6-2-1-3-9-13(11)20-14-16-17-18-19(14)12-7-4-5-8-12/h11-13H,1-10,15H2
InChIKeyJKVNRTGSWPHZND-UHFFFAOYSA-N
XLogP2.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530581
trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732760
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649515
2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
CID 55180519
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
CID 64649338
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
CID 43530324
[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine
CID 43530629
2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile
CID 43293137
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine?
The IUPAC name of [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine (CID 43530537) is [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine.
What is the SMILES notation for [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine?
The canonical SMILES for [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine is NCC1CCCCCC1Sc1nnnn1C1CCCC1.
What is the InChIKey of [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine?
The InChIKey is JKVNRTGSWPHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c15-10-11-6-2-1-3-9-13(11)20-14-16-17-18-19(14)12-7-4-5-8-12/h11-13H,1-10,15H2.
What are the key properties of [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine?
[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine has a molecular weight of 295.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine is sourced from PubChem (CID 43530537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).